General Information of the Compound
| Compound ID |
CP0423280
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| Compound Name |
1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-hexahydrobenzo[c]thiophen-4(1H)-one
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| Structure |
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| Formula |
C18H21ClO2S2
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| Molecular Weight |
368.951
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| Canonical SMILES |
CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3
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| InChIKey |
OGPGSYNCKSLJOF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03377, Gamma-aminobutyric acid receptor subunit alpha-1
Protein ID: PT02002, Gamma-aminobutyric acid receptor subunit alpha-5